6-Bromo-2-methyl-3(2H)-pyridazinone - CAS 1123169-25-4
Catalog: |
BB002935 |
Product Name: |
6-Bromo-2-methyl-3(2H)-pyridazinone |
CAS: |
1123169-25-4 |
Synonyms: |
6-bromo-2-methylpyridazin-3-one |
IUPAC Name: | 6-bromo-2-methylpyridazin-3-one |
Description: | 6-Bromo-2-methyl-3(2H)-pyridazinone (CAS# 1123169-25-4) is a useful research chemical. |
Molecular Weight: | 189.01 |
Molecular Formula: | C5H5BrN2O |
Canonical SMILES: | CN1C(=O)C=CC(=N1)Br |
InChI: | InChI=1S/C5H5BrN2O/c1-8-5(9)3-2-4(6)7-8/h2-3H,1H3 |
InChI Key: | KDZJDTWUSLHWQN-UHFFFAOYSA-N |
Purity: | 95 % |
Appearance: | Solid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD12198437 |
LogP: | 0.54280 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020052631-A1 | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
CN-111601809-A | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
CN-111635408-A | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
TW-202024089-A | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
US-10858365-B2 | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.95853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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